Zizyphoiside C
[2-[2-[3,5-dihydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
Also Known As: Zizyphoiside C|3-O-Acetylrhamnopyranosyl-1-3-glucopyranosyl-1-3-arabinopyraosyl-1-3-jujubogenin|[2-[2-[3,5-dihydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate|20-hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 3-o-acetyl-6-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->3)pentopyranoside|20-hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 3-o-acetyl-6-deoxyhexopyranosyl-(1-|(2-(2-(3,5-dihydroxy-2-((16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo(18.2.1.01,14.02,11.05,10.015,20)tricosan-7-yl)oxy)oxan-4-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy-3,5-dihydroxy-6-methyloxan-4-yl) acetate|alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,13-diepoxy-20-hydroxydammar-24-en-3-yl O-3-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-3)-
| Molecular Formula | C49H78O18 |
|---|---|
| Molecular Weight | 954.5188 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 954.5188 |
| Monoisotopic Mass | 954.5188 |
| Heavy Atoms | 67 |
| Complexity | 1860.0 |
Chemical Identifiers
| CAS Number | 19282-95-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(COC(C3O)OC4CCC5(C6CCC7C8C(CC(OC89CC7(C6(CCC5C4(C)C)C)CO9)C=C(C)C)(C)O)C)O)CO)O)O)OC(=O)C)O |
| InChIKey | DPKBVIDMZOJSPB-UHFFFAOYSA-N |
Product Overview
Zizyphoiside C (CAS 19282-95-2), with molecular formula C49H78O18 and molecular weight 954.5188 g/mol. IUPAC: [2-[2-[3,5-dihydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate.